5-bromo-4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid

C15H14BrClN2O5S2 — CID 39826976

IUPAC5-bromo-4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)c(Br)s1
InChIInChI=1S/C15H14BrClN2O5S2/c16-14-13(8-12(25-14)15(20)21)26(22,23)18-10-7-9(17)1-2-11(10)19-3-5-24-6-4-19/h1-2,7-8,18H,3-6H2,(H,20,21)
InChIKeyKXBKZUZFUCDIJN-UHFFFAOYSA-N
MW481.78 g/mol
LogP3.50
Rot. Bonds5

About 5-bromo-4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 39826976) has the molecular formula C15H14BrClN2O5S2 and a molecular weight of 481.78 g/mol. Its IUPAC name is 5-bromo-4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID39826976
Molecular FormulaC15H14BrClN2O5S2
Molecular Weight481.78 g/mol
Exact Mass479.92
IUPAC Name5-bromo-4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)c(Br)s1
InChIInChI=1S/C15H14BrClN2O5S2/c16-14-13(8-12(25-14)15(20)21)26(22,23)18-10-7-9(17)1-2-11(10)19-3-5-24-6-4-19/h1-2,7-8,18H,3-6H2,(H,20,21)
InChIKeyKXBKZUZFUCDIJN-UHFFFAOYSA-N
XLogP3.50
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.78
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-[(2,5-dichlorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43351434
3-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 4806611
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide
CID 55880070
3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 46292427
5-amino-N-(2,5-dichlorophenyl)-2-morpholin-4-ylbenzenesulfonamide
CID 3870175
4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 80980079
5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 82745764
N-(5-chloro-2-morpholin-4-ylphenyl)formamide
CID 168653887
N-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823097
3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 50767039
5-bromo-4-[(3-chloro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 39824334
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide
CID 38910526

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 39826976) is 5-bromo-4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)c(Br)s1.
What is the InChIKey of 5-bromo-4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is KXBKZUZFUCDIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O5S2/c16-14-13(8-12(25-14)15(20)21)26(22,23)18-10-7-9(17)1-2-11(10)19-3-5-24-6-4-19/h1-2,7-8,18H,3-6H2,(H,20,21).
What are the key properties of 5-bromo-4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 481.78 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 39826976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).